COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323042
Chemical Name: 6-amino-2-ethyl-8-[4-(trifluoromethyl)phenyl]-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Smiles: CCN1CC=C2C(C1)C(c1ccc(cc1)C(F)(F)F)C(C(=C2C#N)N)(C#N)C#N

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Molecular Weight: 397.4
Empirical Formula: C21H18F3N5

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 3.456
Rotatable bonds: 1
H-donors: 2
H-acceptors: 0
PSA: 100
Number of rings: 3

     

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